1. PPL-Dept of Computer Science, UIUC Component Frameworks: Laxmikant (Sanjay) Kale Parallel Programming Laboratory Department of Computer Science University of Illinois at Urbana-Champaign http://charm.cs.uiuc.edu

2. PPL-Dept of Computer Science, UIUC Group Mission and Approach To enhance Performance and Productivity in programming complex parallel applications –Performance: scalable to thousands of processors –Productivity: of human programmers –complex: irregular structure, dynamic variations Approach: Application Oriented yet CS centered research –Develop enabling technology, for a wide collection of apps. –Develop, use and test it in the context of real applications –Optimal division of labor between “system” and programmer: Decomposition done by programmer, everything else automated Develop standard library of reusable parallel components

3. PPL-Dept of Computer Science, UIUC Motivation Parallel Computing in Science and Engineering –Competitive advantage –Pain in the neck –Necessary evil It is not so difficult –But tedious, and error-prone –New issues: race conditions, load imbalances, modularity in presence of concurrency,.. –Just have to bite the bullet, right?

4. PPL-Dept of Computer Science, UIUC But wait… Parallel computation structures –The set of the parallel applications is diverse and complex –Yet, the underlying parallel data structures and communication structures are small in number Structured and unstructured grids, trees (AMR,..), particles, interactions between these, space-time One should be able to reuse those –Avoid doing the same parallel programming again and again

5. PPL-Dept of Computer Science, UIUC A second idea Many problems require dynamic load balancing –We should be able to reuse load rebalancing strategies It should be possible to separate load balancing code from application code This strategy is embodied in Charm++ –Express the program as a collection of interacting entities (objects). –Let the system control mapping to processors

6. PPL-Dept of Computer Science, UIUC Charm Component Frameworks Object based decomposition Reuse of Specialized Parallel Strucutres Component Frameworks Load balancing Auto. Checkpointing Flexible use of clusters Out-of-core execn.

7. PPL-Dept of Computer Science, UIUC Current Set of Component Frameworks FEM / unstructured meshes: –“Mature”, with several applications already Multiblock: multiple structured grids –New, but very promising AMR: – oct and quad trees

8. PPL-Dept of Computer Science, UIUC

9. Multiblock Constituents

10. PPL-Dept of Computer Science, UIUC Terminology

11. PPL-Dept of Computer Science, UIUC Multi-partition decomposition Idea: divide the computation into a large number of pieces –Independent of number of processors –typically larger than number of processors –Let the system map entities to processors

12. PPL-Dept of Computer Science, UIUC Object-based Parallelization User View System implementation User is only concerned with interaction between objects

13. PPL-Dept of Computer Science, UIUC Charm++ Parallel C++ with Data Driven Objects Object Arrays/ Object Collections Object Groups: –Global object with a “representative” on each PE Asynchronous method invocation Prioritized scheduling Mature, robust, portable http://charm.cs.uiuc.edu

14. PPL-Dept of Computer Science, UIUC Data driven execution Scheduler Message Q

15. PPL-Dept of Computer Science, UIUC Load Balancing Framework Based on object migration and measurement of load information Partition problem more finely than the number of available processors Partitions implemented as objects (or threads) and mapped to available processors by LB framework Runtime system measures actual computation times of every partition, as well as communication patterns Variety of “plug-in” LB strategies available

16. PPL-Dept of Computer Science, UIUC Load Balancing Framework

17. PPL-Dept of Computer Science, UIUC Building on Object-based Parallelism Application induced load imbalances Environment induced performance issues: –Dealing with extraneous loads on shared m/cs –Vacating workstations –Automatic checkpointing –Automatic prefetching for out-of-core execution –Heterogeneous clusters Reuse: object based components But: Must use Charm++!

18. PPL-Dept of Computer Science, UIUC AMPI: Goals Runtime adaptivity for MPI programs –Based on multi-domain decomposition and dynamic load balancing features of Charm++ –Minimal changes to the original MPI code –Full MPI 1.1 standard compliance –Additional support for coupled codes –Automatic conversion of existing MPI programs Original MPI CodeAMPI Code AMPI Runtime AMPIzer

19. PPL-Dept of Computer Science, UIUC Adaptive MPI A bridge between legacy MPI codes and dynamic load balancing capabilities of Charm++ AMPI = MPI + dynamic load balancing Based on Charm++ object arrays and Converse’s migratable threads Minimal modification needed to convert existing MPI programs (to be automated in future) Bindings for C, C++, and Fortran90 Currently supports most of the MPI 1.1 standard

20. PPL-Dept of Computer Science, UIUC AMPI Features Over 70+ common MPI routines –C, C++, and Fortran 90 bindings –Tested on IBM SP, SGI Origin 2000, Linux clusters Automatic conversion: AMPIzer –Based on Polaris front-end –Source-to-source translator for converting MPI programs to AMPI –Generates supporting code for migration Very low “overhead” compared with native MPI

21. PPL-Dept of Computer Science, UIUC AMPI Extensions Integration of multiple MPI-based modules –Example: integrated rocket simulation ROCFLO, ROCSOLID, ROCBURN, ROCFACE Each module gets its own MPI_COMM_WORLD –All COMM_WORLDs form MPI_COMM_UNIVERSE Point-to-point communication among different MPI_COMM_WORLDs using the same AMPI functions Communication across modules also considered for balancing load Automatic checkpoint-and-restart –On different number of processors –Number of virtual processors remain the same, but can be mapped to different number of physical processors

22. PPL-Dept of Computer Science, UIUC Charm++ Converse

23. PPL-Dept of Computer Science, UIUC Application Areas and Collaborations Molecular Dynamics: –Simulation of biomolecules –Material properties and electronic structures CSE applications: –Rocket Simulation –Industrial process simulation –Cosmology visualizer Combinatorial Search: –State space search, game tree search, optimization

24. PPL-Dept of Computer Science, UIUC Molecular Dynamics Collection of [charged] atoms, with bonds Newtonian mechanics At each time-step –Calculate forces on each atom Bonds: Non-bonded: electrostatic and van der Waal’s –Calculate velocities and advance positions 1 femtosecond time-step, millions needed! Thousands of atoms (1,000 - 100,000)

25. PPL-Dept of Computer Science, UIUC

27. BC1 complex: 200k atoms

28. PPL-Dept of Computer Science, UIUC Performance Data: SC2000

29. PPL-Dept of Computer Science, UIUC Charm++ Converse Load database + balancer MPI-on-CharmIrecv+ Automatic Conversion from MPI FEM Structured Cross module interpolation Migration path Framework path Component Frameworks: Using the Load Balancing Framework

30. PPL-Dept of Computer Science, UIUC Finite Element Framework Goals Hide parallel implementation in the runtime system Allow adaptive parallel computation and dynamic automatic load balancing Leave physics and numerics to user Present clean, “almost serial” interface: begin time loop compute forces update node positions end time loop begin time loop compute forces communicate shared nodes update node positions end time loop Serial Code for entire mesh Framework Code for mesh partition

31. PPL-Dept of Computer Science, UIUC FEM Framework: Responsibilities Charm++ (Dynamic Load Balancing, Communication) FEM Framework (Update of Nodal properties, Reductions over nodes or partitions) FEM Application (Initialize, Registration of Nodal Attributes, Loops Over Elements, Finalize) METISI/O PartitionerCombiner

32. PPL-Dept of Computer Science, UIUC Structure of an FEM Program Serial init() and finalize() subroutines –Do serial I/O, read serial mesh and call FEM_Set_Mesh Parallel driver() main routine: –One driver per partitioned mesh chunk –Runs in a thread: time-loop looks like serial version –Does computation and call FEM_Update_Field Framework handles partitioning, parallelization, and communication

33. PPL-Dept of Computer Science, UIUC Structure of an FEM Application init() Update finalize() driver Shared Nodes

34. PPL-Dept of Computer Science, UIUC Dendritic Growth Studies evolution of solidification microstructures using a phase-field model computed on an adaptive finite element grid Adaptive refinement and coarsening of grid involves re- partitioning

35. PPL-Dept of Computer Science, UIUC Crack Propagation Decomposition into 16 chunks (left) and 128 chunks, 8 for each PE (right). The middle area contains cohesive elements. Both decompositions obtained using Metis. Pictures: S. Breitenfeld, and P. Geubelle

36. PPL-Dept of Computer Science, UIUC “Overhead” of Multipartitioning

37. PPL-Dept of Computer Science, UIUC Load balancer in action Automatic Load Balancing in Crack Propagation 1. Elements Added 3. Chunks Migrated 2. Load Balancer Invoked

38. PPL-Dept of Computer Science, UIUC Parallel Collision Detection Detect collisions (intersections) between objects scattered across processors Approach, based on Charm++ Arrays Overlay regular, sparse 3D grid of voxels (boxes) Send objects to all voxels they touch Collide voxels independently and collect results Leave collision response to user code

39. PPL-Dept of Computer Science, UIUC Collision Detection Speed O( n ) serial performance Good speedups to 1000s of processors ASCI Red, 65,000 polygons per processor scaling problem (to 100 million polygons) Single Linux PC 2us per polygon serial performance

40. PPL-Dept of Computer Science, UIUC Rocket Simulation Our Approach: –Multi-partition decomposition –Data-driven objects (Charm++) –Automatic load balancing framework AMPI: Migration path for existing MPI+Fortran90 codes –ROCFLO, ROCSOLID, and ROCFACE

41. PPL-Dept of Computer Science, UIUC Timeshared parallel machines How to use parallel machines effectively? Need resource management –Shrink and expand individual jobs to available sets of processors –Example: Machine with 100 processors Job1 arrives, can use 20-150 processors Assign 100 processors to it Job2 arrives, can use 30-70 processors, –and will pay more if we meet its deadline We can do this with migratable objects!

42. PPL-Dept of Computer Science, UIUC Faucets: Multiple Parallel Machines Faucet submits a request, with a QoS contract: –CPU seconds, min-max cpus, deadline, interacive? Parallel machines submit bids: –A job for 100 cpu hours may get a lower price bid if: It has less tight deadline, more flexible PE range –A job that requires 15 cpu minutes and a deadline of 1 minute Will generate a variety of bids A machine with idle time on its hand: low bid

43. PPL-Dept of Computer Science, UIUC Faucets QoS and Architecture User specifies desired job parameters such as: min PE, max PE, estimated CPU-seconds, priority, etc. User does not specify machine.. Planned: Integration with Globus Central Server Faucet Client Web Browser Workstation Cluster

44. PPL-Dept of Computer Science, UIUC How to make all of this work? The key: fine-grained resource management model –Work units are objects and threads rather than processes –Data units are object data, thread stacks,.. Rather than pages –Work/Data units can be migrated automatically during a run

45. PPL-Dept of Computer Science, UIUC Time-Shared Parallel Machines

46. PPL-Dept of Computer Science, UIUC Appspector: Web-based Monitoring and Steering of Parallel Programs Parallel Jobs submitted via a server –Server maintains database of running programs –Charm++ client-server interface Allows one to inject messages into a running application From any web browser: –You can attach to a job (if authenticated) –Monitor performance –Monitor behavior –Interact and steer job (send commands)

47. PPL-Dept of Computer Science, UIUC BioCoRE Project Based Workbench for Modeling Conferences/Chat Rooms Lab Notebook Joint Document Preparation Goal: Provide a web-based way to virtually bring scientists together. http://www.ks.uiuc.edu/Research/biocore/

48. PPL-Dept of Computer Science, UIUC Some New Projects Load Balancing for really large machines: –30k-128k processors Million-processor Petaflops class machines –Emulation for software development –Simulation for Performance Prediction Operations Research –Combinatorial optiization Parallel Discrete Event Simulation

49. PPL-Dept of Computer Science, UIUC Summary Exciting times for parallel computing ahead We are preparing an object based infrastructure –To exploit future apps on future machines Charm++, AMPI, automatic load balancing Application-oriented research that produces enabling CS technology Rich set of collaborations More information: http://charm.cs.uiuc.edu